SCHEMBL13624171

SCHEMBL13624171

CC[C@@H](CNc1ccc(N2CCOCC2)cc1)NC(=O)C1(NC(c2ccccc2)C(F)(F)F)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CTSL P07711 7/20 0.42
CTSS P25774 6/20 0.42
ALDH1A1 P00352 1/20 0.39
KCNQ2 O43526 1/20 0.39
CTSB P07858 1/20 0.39
ACP1 P24666 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13624281 0.84 CTSK (0.48) CTSKL3MBTL1CTSLCTSSALDH1A1
SCHEMBL13624322 0.79 CTSL (0.56) CTSKL3MBTL1CTSLCTSSCTSB
SCHEMBL4367383 0.74 CTSK (0.51) CTSKALDH1A1
SCHEMBL13624440 0.73 CTSL (0.47) CTSKCTSLCTSSCTSB
SCHEMBL13624325 0.73 CTSK (0.49) CTSKCTSLALDH1A1
SCHEMBL13624418 0.72 CTSL (0.57) CTSKL3MBTL1CTSLCTSSCTSB
SCHEMBL4366149 0.72 CTSL (0.53) CTSKL3MBTL1CTSLCTSSALDH1A1
SCHEMBL13624300 0.72 CTSL (0.51) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL13624447 0.72 CTSL (0.47) CTSKCTSLCTSSCTSB
SCHEMBL13624384 0.71 CTSL (0.47) CTSKL3MBTL1CTSLCTSSALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CTSK 15/4885L3MBTL1 3079/4885CTSL 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.